# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 99.01 8.45 13.49 22.99 119.30 -161.46 -102.21 134.66 99.92 0.07 0.02 99.87 0.06 0.03 0.01 0.00 0.00 0.03 0.01 1 S C C 68.39 5.78 11.93 19.29 116.91 -146.17 -92.77 141.09 90.64 2.28 7.08 86.43 1.17 4.00 4.47 1.65 0.00 1.25 1.03 2 Y C C 124.85 8.19 9.72 19.00 113.38 -153.32 -97.30 124.48 79.67 4.17 16.15 57.21 13.41 9.05 9.86 6.19 0.01 2.38 1.88 3 R C C 152.86 4.18 12.10 17.86 108.48 -149.84 -86.49 92.50 75.62 4.09 20.28 54.13 12.37 9.18 10.76 9.46 0.00 2.53 1.56 4 K C C 135.59 3.99 12.48 17.94 104.59 54.58 -87.14 85.33 72.29 4.67 23.04 47.82 12.49 12.04 11.64 11.24 0.01 2.69 2.06 5 L C T 81.27 10.24 9.73 20.45 103.62 118.93 -81.48 23.62 77.78 2.78 19.44 31.44 15.86 31.63 10.10 8.13 0.02 1.39 1.43 6 G C C 56.93 2.34 14.33 17.30 100.90 -71.18 80.02 4.13 90.12 1.47 8.41 35.55 22.40 32.65 4.05 3.95 0.00 0.72 0.68 7 R C C 107.21 7.80 9.80 19.12 121.20 114.74 -95.38 152.38 92.69 2.09 5.23 50.67 37.59 4.43 3.76 1.39 0.00 0.76 1.41 8 T C C 83.31 2.36 15.32 17.72 117.29 -104.53 -79.05 159.18 94.06 1.53 4.41 79.02 12.93 1.87 3.97 0.68 0.00 0.57 0.96 9 S H H 66.22 6.41 11.83 19.76 95.47 -105.96 -60.68 -40.41 8.29 0.04 91.67 3.00 2.72 2.56 90.89 0.80 0.00 0.01 0.02 10 A H H 77.34 1.73 15.60 17.09 92.85 51.19 -65.07 -39.22 3.49 0.01 96.50 0.86 0.48 1.89 95.95 0.81 0.00 0.00 0.01 11 Q H H 94.91 3.66 16.54 20.91 92.35 49.62 -65.93 -39.74 1.70 0.01 98.29 0.66 0.20 0.79 97.53 0.80 0.00 0.01 0.00 12 R H H 50.98 15.48 13.77 29.38 91.62 51.25 -64.30 -41.79 0.65 0.00 99.35 0.24 0.06 0.28 99.16 0.25 0.00 0.00 0.00 13 K H H 92.73 9.41 18.99 28.92 91.36 51.25 -62.68 -41.27 0.40 0.00 99.60 0.11 0.03 0.19 99.58 0.09 0.00 0.00 0.00 14 A H H 52.86 2.97 22.29 24.55 91.36 50.47 -63.43 -41.51 0.41 0.00 99.59 0.09 0.03 0.22 99.59 0.06 0.00 0.00 0.00 15 M H H 48.25 11.81 20.73 33.05 91.92 49.83 -64.76 -41.98 0.40 0.00 99.60 0.07 0.02 0.23 99.63 0.06 0.00 0.00 0.00 16 L H H 13.13 22.18 18.70 40.29 91.48 50.62 -63.52 -42.62 0.23 0.00 99.77 0.04 0.01 0.12 99.79 0.03 0.00 0.00 0.00 17 R H H 106.18 9.93 23.03 32.93 91.32 51.09 -62.88 -41.97 0.19 0.00 99.81 0.03 0.01 0.11 99.83 0.02 0.00 0.00 0.00 18 D H H 76.01 4.31 25.68 29.93 91.60 49.67 -65.11 -40.89 0.41 0.00 99.59 0.05 0.02 0.26 99.63 0.04 0.00 0.00 0.00 19 L H H 14.83 19.28 21.34 40.33 91.80 49.82 -64.48 -42.77 0.64 0.00 99.36 0.05 0.03 0.44 99.42 0.04 0.00 0.00 0.00 20 T H H 9.87 22.48 20.89 42.74 91.50 50.10 -63.65 -42.57 0.57 0.00 99.43 0.07 0.04 0.36 99.49 0.05 0.00 0.00 0.00 21 T H H 50.70 8.21 24.67 33.03 91.82 50.48 -64.34 -42.00 0.51 0.00 99.48 0.08 0.03 0.32 99.50 0.07 0.00 0.00 0.00 22 D H H 45.93 8.70 23.40 32.88 91.87 50.56 -65.52 -40.40 0.70 0.00 99.29 0.10 0.05 0.46 99.23 0.15 0.00 0.00 0.00 23 L H H 6.06 23.37 17.27 40.61 91.93 50.72 -64.75 -42.03 1.01 0.01 98.98 0.11 0.07 0.79 98.76 0.27 0.00 0.00 0.00 24 I H H 41.81 17.50 19.27 35.90 93.82 45.68 -68.69 -39.74 3.13 0.01 96.86 0.17 0.18 2.74 96.58 0.31 0.01 0.00 0.00 25 I H H 92.53 5.81 21.20 27.08 98.14 38.43 -84.03 -36.89 12.65 0.03 87.32 0.54 1.03 10.70 87.36 0.32 0.02 0.01 0.02 26 N C H 73.92 7.50 18.46 26.48 102.52 25.72 -104.66 -3.68 52.36 0.56 47.08 17.95 10.47 22.31 47.91 0.84 0.02 0.19 0.31 27 E C S 91.32 14.27 16.31 29.97 95.65 -134.95 62.39 14.19 97.59 1.91 0.49 21.71 69.94 6.00 0.15 0.28 0.00 1.72 0.20 28 R E E 101.90 7.67 22.67 31.26 133.78 60.56 -139.24 148.11 49.64 49.76 0.60 38.72 6.79 2.65 0.12 0.44 0.00 50.66 0.62 29 I E E 12.11 23.95 14.86 38.88 125.24 -167.08 -126.89 134.15 22.90 77.00 0.10 22.01 0.67 0.08 0.04 0.05 0.00 76.29 0.86 30 E E E 98.88 6.91 25.61 33.21 116.73 -154.63 -105.38 128.53 12.44 87.51 0.05 11.83 0.57 0.05 0.03 0.02 0.00 86.77 0.73 31 T E E 14.82 20.83 13.99 34.53 139.51 155.54 -145.69 167.22 30.24 69.73 0.03 28.49 1.46 0.05 0.01 0.02 0.00 69.29 0.68 32 T C C 59.10 5.12 21.89 26.97 119.87 -98.08 -76.38 162.73 74.24 25.64 0.11 72.91 1.74 0.08 0.07 0.03 0.00 24.10 1.08 33 E H H 108.91 8.92 15.30 25.25 91.82 -106.54 -58.71 -38.73 2.16 0.01 97.83 0.30 0.33 1.28 97.73 0.36 0.00 0.00 0.00 34 T H H 85.97 1.79 21.57 21.81 91.54 52.51 -63.55 -41.26 1.49 0.00 98.50 0.15 0.13 1.05 98.28 0.40 0.00 0.00 0.00 35 R H H 67.88 12.77 18.77 31.70 92.28 47.59 -66.65 -39.42 0.68 0.00 99.32 0.11 0.05 0.41 99.01 0.42 0.00 0.00 0.00 36 A H H 5.42 22.55 14.12 36.81 91.39 52.92 -62.51 -42.16 0.23 0.00 99.77 0.03 0.01 0.12 99.70 0.13 0.00 0.00 0.00 37 K H H 119.48 3.51 23.87 27.43 91.47 50.91 -63.75 -40.31 0.41 0.00 99.59 0.03 0.01 0.30 99.51 0.14 0.00 0.00 0.00 38 E H H 89.90 5.30 23.66 29.02 91.70 49.99 -65.44 -40.63 1.54 0.00 98.46 0.05 0.04 1.39 98.32 0.21 0.00 0.00 0.00 39 L H H 4.02 25.08 17.23 42.39 92.13 49.62 -66.29 -40.57 2.29 0.00 97.70 0.13 0.10 1.79 97.82 0.16 0.00 0.00 0.00 40 R H H 87.74 16.11 21.16 35.69 91.41 56.15 -60.43 -42.85 0.56 0.00 99.44 0.10 0.03 0.26 99.54 0.07 0.00 0.00 0.00 41 S H H 61.90 2.45 25.96 27.06 91.54 50.53 -64.06 -40.40 0.46 0.00 99.54 0.05 0.02 0.28 99.55 0.10 0.00 0.00 0.00 42 V H H 24.79 14.89 21.79 36.81 92.09 49.28 -65.40 -42.33 0.19 0.00 99.81 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 43 V H H 2.57 26.27 18.22 44.82 91.21 50.82 -63.11 -43.38 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 44 E H H 86.79 8.86 24.46 33.49 91.11 51.62 -62.40 -41.45 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 45 K H H 104.50 4.60 26.40 31.20 91.71 50.15 -65.14 -40.87 0.17 0.00 99.83 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 46 M H H 6.76 23.52 20.83 43.93 91.61 49.72 -64.36 -43.05 0.26 0.00 99.74 0.01 0.01 0.20 99.74 0.04 0.00 0.00 0.00 47 I H H 17.11 21.08 21.83 42.04 91.48 49.21 -64.10 -42.12 0.79 0.00 99.21 0.06 0.04 0.63 99.02 0.25 0.00 0.00 0.00 48 T H H 68.07 3.80 26.82 30.34 91.58 49.93 -64.13 -42.27 2.77 0.01 97.22 0.21 0.20 2.29 96.40 0.87 0.01 0.00 0.00 49 L H H 34.48 10.80 21.78 33.69 91.71 50.13 -65.11 -40.50 3.38 0.01 96.61 0.30 0.28 2.61 94.64 2.15 0.01 0.00 0.00 50 G H H 3.76 23.17 14.55 37.75 91.79 53.36 -65.13 -37.78 10.85 0.06 89.09 1.51 0.94 8.12 84.21 5.12 0.03 0.03 0.03 51 K H H 109.78 8.87 20.30 29.58 92.05 53.52 -69.00 -31.02 24.66 0.10 75.24 1.77 2.23 20.63 70.73 4.47 0.06 0.04 0.07 52 R H H 156.08 2.08 21.36 22.53 97.52 48.55 -90.82 -6.66 39.88 0.19 59.92 4.12 7.33 28.69 56.33 3.22 0.07 0.06 0.17 53 G C C 32.23 14.95 12.66 26.67 103.97 -127.29 72.13 24.19 98.79 0.28 0.93 44.05 30.15 24.67 0.51 0.35 0.00 0.11 0.17 54 D C C 73.10 4.22 19.56 23.99 124.60 145.91 -100.37 160.25 98.65 0.72 0.63 88.80 9.25 0.39 0.53 0.10 0.00 0.16 0.77 55 L H H 100.46 7.48 15.42 24.15 92.35 -105.49 -60.05 -36.93 5.02 0.01 94.97 0.75 0.88 3.12 94.50 0.74 0.00 0.00 0.00 56 H H H 120.24 2.29 20.88 22.50 91.69 52.83 -64.55 -40.70 2.82 0.00 97.17 0.32 0.25 2.05 96.55 0.82 0.00 0.00 0.00 57 A H H 14.09 14.48 16.25 31.94 91.74 50.05 -64.70 -41.33 0.65 0.00 99.35 0.14 0.05 0.36 98.84 0.61 0.00 0.00 0.00 58 R H H 56.15 18.62 17.72 35.17 91.76 52.05 -62.72 -42.23 0.20 0.00 99.80 0.03 0.01 0.11 99.68 0.17 0.00 0.00 0.00 59 R H H 127.25 4.44 24.88 29.56 91.75 50.21 -64.02 -40.92 0.18 0.00 99.82 0.02 0.01 0.12 99.75 0.10 0.00 0.00 0.00 60 Q H H 82.21 5.85 25.57 31.62 91.53 49.69 -64.50 -41.76 0.21 0.00 99.79 0.02 0.01 0.15 99.72 0.11 0.00 0.00 0.00 61 A H H 2.52 23.98 18.73 43.05 91.20 50.11 -63.35 -43.07 0.26 0.00 99.74 0.02 0.01 0.18 99.59 0.19 0.00 0.00 0.00 62 A H H 19.72 17.29 21.29 38.11 91.41 51.78 -62.60 -41.22 0.62 0.00 99.38 0.04 0.02 0.47 98.77 0.70 0.00 0.00 0.00 63 A H H 55.42 3.52 25.10 28.16 91.48 51.35 -64.18 -40.62 3.03 0.00 96.97 0.08 0.08 2.82 95.44 1.57 0.00 0.00 0.00 64 Y H H 65.60 11.88 21.94 33.98 92.41 49.31 -66.97 -39.60 8.61 0.01 91.37 0.32 0.36 7.83 90.07 1.39 0.01 0.00 0.01 65 I H H 5.42 24.40 16.08 40.50 96.01 46.07 -80.79 -29.09 22.62 0.41 76.98 5.27 4.07 14.09 74.31 1.76 0.10 0.14 0.25 66 R H H 101.85 13.28 18.06 30.79 93.25 71.07 -62.72 -38.65 23.55 0.51 75.94 9.83 3.48 10.84 65.78 9.53 0.04 0.28 0.23 67 N H H 110.59 2.29 20.69 22.54 94.52 47.17 -74.66 -26.33 27.52 0.49 72.00 7.86 4.04 15.61 60.13 11.82 0.06 0.27 0.22 68 E H H 76.23 10.00 17.72 28.17 100.00 46.20 -88.57 -26.45 28.26 1.16 70.58 11.26 5.04 12.74 58.65 11.12 0.08 0.68 0.43 69 V H H 27.52 17.84 12.71 29.96 105.96 57.79 -90.59 20.01 38.90 5.38 55.73 22.66 8.01 11.00 48.41 4.86 0.14 2.86 2.07 70 A C H 58.04 7.33 15.07 23.38 101.73 83.40 -77.41 -14.49 60.20 3.01 36.80 27.35 10.66 22.23 33.34 3.63 0.07 1.59 1.13 71 N C C 108.64 3.16 14.70 18.68 102.77 39.45 -88.03 35.10 77.89 1.27 20.84 32.47 17.03 28.52 17.03 3.73 0.01 0.60 0.61 72 E C C 106.55 7.44 10.84 19.48 104.64 119.88 -83.34 10.43 76.23 0.72 23.05 27.59 26.13 22.83 16.72 5.91 0.01 0.27 0.53 73 E C T 143.25 2.21 13.73 16.70 98.10 72.83 -73.62 -21.60 70.93 0.63 28.45 22.30 20.94 28.33 19.63 8.07 0.01 0.25 0.47 74 N C C 94.85 5.28 13.90 20.30 103.38 44.09 -92.15 30.43 67.75 1.31 30.94 33.93 14.41 20.02 22.17 8.13 0.01 0.58 0.75 75 N C C 59.59 13.16 12.32 25.48 99.14 118.74 -77.82 -2.58 61.29 1.14 37.58 44.29 7.38 9.23 32.56 5.45 0.00 0.50 0.59 76 Q C H 89.32 9.67 16.47 26.56 95.95 95.82 -69.58 -29.89 50.60 0.76 48.64 35.09 6.97 7.36 47.28 2.66 0.00 0.32 0.32 77 D H H 82.36 4.56 21.76 26.13 94.72 57.09 -71.08 -26.95 42.04 0.60 57.36 31.97 3.82 5.12 56.84 1.76 0.00 0.24 0.24 78 A H H 12.80 16.68 18.25 35.42 92.90 71.36 -64.86 -41.45 5.69 0.06 94.25 3.63 0.61 1.31 93.75 0.66 0.00 0.02 0.02 79 L H H 12.69 22.25 18.42 40.16 91.94 51.34 -63.37 -42.25 1.10 0.01 98.89 0.50 0.12 0.42 98.59 0.37 0.00 0.01 0.00 80 Q H H 81.80 7.40 23.42 31.07 91.50 51.33 -63.39 -41.29 0.54 0.01 99.45 0.19 0.05 0.25 99.16 0.34 0.00 0.00 0.00 81 K H H 87.03 6.46 23.81 30.48 91.69 50.05 -64.36 -41.75 0.51 0.01 99.48 0.12 0.04 0.29 99.23 0.31 0.00 0.00 0.00 82 L H H 5.73 23.67 18.44 42.10 91.56 49.17 -64.11 -43.25 0.68 0.01 99.31 0.10 0.05 0.45 99.08 0.31 0.00 0.00 0.00 83 F H H 29.30 20.47 19.17 38.66 93.83 42.73 -70.67 -39.26 1.75 0.01 98.24 0.12 0.11 1.46 97.92 0.37 0.02 0.00 0.00 84 S H H 63.96 3.94 22.29 26.14 99.52 36.89 -88.07 -38.28 10.56 0.01 89.43 0.15 0.37 10.72 88.19 0.53 0.03 0.00 0.01 85 D C T 73.33 5.58 21.82 27.71 104.11 27.55 -98.37 -39.09 60.03 0.04 39.93 0.36 1.69 56.81 40.31 0.77 0.02 0.01 0.03 86 I H H 8.03 21.49 18.07 39.63 99.39 35.06 -81.26 -43.54 28.47 0.04 71.49 0.65 1.51 26.41 67.98 3.35 0.05 0.01 0.04 87 A H H 8.29 20.68 15.91 36.78 91.19 54.31 -61.07 -42.76 4.11 0.01 95.87 0.46 0.27 2.85 73.21 23.20 0.00 0.01 0.00 88 T H H 78.54 3.05 22.61 25.12 91.37 51.39 -64.30 -37.06 2.66 0.01 97.34 0.16 0.12 2.05 71.51 26.15 0.00 0.00 0.00 89 R H H 109.94 7.40 20.03 27.99 91.71 52.80 -68.33 -30.05 4.11 0.01 95.89 0.18 0.19 3.31 72.26 24.06 0.00 0.00 0.00 90 Y H H 15.19 21.53 12.23 33.98 98.96 40.57 -105.52 5.04 29.95 0.33 69.71 2.75 2.69 22.67 52.82 18.51 0.16 0.12 0.28 91 E C T 100.38 10.79 15.20 26.78 92.79 104.26 -60.83 -33.64 83.70 0.27 16.02 3.57 4.40 75.37 10.87 5.42 0.00 0.12 0.24 92 E C T 156.08 1.02 19.15 18.40 95.01 48.54 -86.76 2.93 88.71 0.24 11.05 3.23 7.68 78.19 4.11 6.49 0.00 0.14 0.15 93 R C C 73.78 15.69 10.04 25.19 116.32 105.04 -86.73 135.82 94.35 1.14 4.51 78.14 12.39 3.77 1.23 3.15 0.00 0.52 0.80 94 Q C C 137.50 2.36 19.16 21.86 110.03 -147.81 -88.21 122.22 93.71 4.34 1.95 35.86 24.19 33.96 0.37 1.60 0.00 2.10 1.92 95 G C S 29.84 8.29 18.69 27.66 128.65 15.48 114.09 -173.99 91.73 7.29 0.98 9.45 41.87 40.80 0.06 1.06 0.00 5.96 0.80 96 G C C 19.37 15.17 18.22 32.83 128.81 -121.47 121.70 169.55 77.25 22.01 0.74 51.32 19.84 5.63 0.08 0.89 0.00 21.13 1.11 97 Y E E 59.94 15.70 22.25 37.26 131.78 -140.94 -131.88 153.39 24.43 75.49 0.08 20.49 3.57 0.25 0.02 0.06 0.00 74.78 0.83 98 T E E 21.69 21.22 18.61 39.08 126.02 -146.55 -121.31 140.46 2.56 97.44 0.01 2.28 0.14 0.01 0.00 0.00 0.00 97.51 0.05 99 R E E 78.78 11.91 24.17 36.07 126.82 -168.54 -125.88 141.17 0.50 99.50 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.53 0.01 100 I E E 43.74 18.67 17.94 35.94 119.61 -152.75 -110.48 127.61 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.01 101 M E E 55.19 11.89 20.06 32.70 124.41 -169.71 -118.16 137.31 0.44 99.56 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 102 K E E 103.55 9.53 19.19 29.40 113.60 -128.99 -88.23 127.27 1.72 98.28 0.01 1.54 0.07 0.01 0.00 0.00 0.00 98.33 0.05 103 L E E 50.14 14.62 14.57 29.45 115.78 -169.90 -109.95 128.69 21.72 78.25 0.03 19.21 1.87 0.10 0.00 0.02 0.00 78.37 0.43 104 G E E 27.92 5.34 19.31 25.39 137.48 -73.71 135.33 -176.28 42.78 57.20 0.03 29.68 12.06 0.30 0.00 0.03 0.00 57.53 0.40 105 P C C 88.22 4.81 15.96 22.04 115.10 -52.55 -68.01 146.63 50.41 49.31 0.28 45.82 2.93 0.40 0.10 0.20 0.00 44.79 5.76 106 R C C 86.50 12.32 8.75 21.43 113.57 -115.08 -80.51 135.17 67.86 31.46 0.69 61.21 4.62 0.85 0.33 0.42 0.00 18.76 13.82 107 R C T 185.45 1.45 11.79 14.22 107.67 -108.75 -66.98 129.84 89.68 2.87 7.45 6.38 21.65 60.52 0.37 8.25 0.00 1.86 0.97 108 G C T 68.22 0.38 12.12 10.61 100.02 13.93 80.38 -6.52 89.99 0.72 9.29 2.53 16.07 69.60 0.32 10.72 0.00 0.40 0.37 109 D C T 90.97 4.44 9.88 15.68 102.95 55.22 -98.38 4.34 88.97 1.14 9.89 5.79 20.75 59.99 0.38 11.88 0.00 0.62 0.58 110 G C S 53.48 2.83 13.92 17.75 95.95 -123.25 78.19 6.49 95.89 2.63 1.48 30.13 35.32 30.40 0.13 1.62 0.00 1.60 0.79 111 A C C 32.34 10.06 12.50 24.42 119.91 133.27 -79.46 150.04 86.34 13.56 0.10 63.79 22.96 0.46 0.02 0.09 0.00 11.06 1.61 112 P E E 48.09 9.50 18.58 29.21 114.89 -104.08 -67.12 148.33 47.90 52.06 0.04 46.08 1.29 0.09 0.01 0.03 0.00 48.62 3.89 113 M E E 37.32 16.45 18.69 35.11 129.72 -146.60 -121.09 149.82 16.78 83.20 0.02 14.73 1.94 0.07 0.00 0.01 0.00 82.80 0.44 114 A E E 6.87 20.97 19.03 40.34 125.51 -149.64 -116.66 141.59 1.17 98.83 0.00 1.09 0.05 0.00 0.00 0.00 0.00 98.83 0.03 115 I E E 35.61 12.26 25.23 38.36 117.03 -144.63 -103.58 127.59 0.35 99.65 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.67 0.00 116 I E E 6.14 24.52 18.04 43.02 120.54 -164.30 -112.16 130.29 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 117 E E E 65.02 9.55 25.21 35.11 122.14 -166.23 -114.79 134.35 0.33 99.67 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.66 0.01 118 L E E 28.79 19.73 16.11 35.68 114.54 -133.50 -86.03 128.99 4.30 95.69 0.01 4.43 0.05 0.00 0.00 0.00 0.00 95.30 0.21 119 V C C 43.09 12.66 20.13 33.24 114.68 -160.68 -103.75 125.51 96.91 3.09 0.00 97.07 0.05 0.00 0.00 0.00 0.00 2.85 0.02